SCHEMBL20798651

SCHEMBL20798651

CC(CCN)CC(C)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.67
ENPEP Q07075 2/20 0.47
CYP1A2 P05177 1/20 0.43
NAALAD2 Q9Y3Q0 3/20 0.42
FOLH1 Q04609 2/20 0.42
BLM P54132 1/20 0.42
ACE2 Q9BYF1 1/20 0.39
LTA4H P09960 1/20 0.38
SLC7A5 Q01650 1/20 0.38
GABBR2 O75899 1/20 0.37
GABBR1 Q9UBS5 1/20 0.37
GSR P00390 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24806223 0.84 GABRR1 (0.77) GABRR1ENPEPCYP1A2BLMACE2
SCHEMBL11491423 0.81 GABRR1 (0.52) GABRR1ENPEPCYP1A2NAALAD2FOLH1
SCHEMBL2868545 0.81 GABRR1 (0.52) GABRR1ENPEPCYP1A2NAALAD2FOLH1
SCHEMBL11924540 0.80
SCHEMBL164117 0.80
SCHEMBL14518787 0.80
SCHEMBL2420111 0.80 SLC7A5 (0.58) GABRR1SLC7A5GSR
SCHEMBL199134 0.80 SLC7A5 (0.58) GABRR1SLC7A5GSR
SCHEMBL8015716 0.80 SLC7A5 (0.58) GABRR1SLC7A5GSR
SCHEMBL6138683 0.80 SLC7A5 (0.58) GABRR1SLC7A5GSR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046981-B2 Host cell modified to produce lactams THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-06-29 US disclosed
US-10227622-B2 Host cell modified to produce 2-pyrrolidone THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-03-12 US disclosed